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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212703

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1212703
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Na', 'Y', 'C', 'O']
  • Chemical System: C-Na-O-Y
  • Density: 2.297585536169689
  • Atomic Density: 0.06812418951022109
  • Unit Cell Volume: 1115.6096027916376
  • Molar Volume: 8.83994481739333
  • Full Formula: Na12 Y4 C12 O48
  • Reduced Formula: Na3Y(CO4)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -507.7031944
  • Final energy per atom: -6.680305189473684
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.